Dy2Tm3ZrN6
Alexandria ALEXAlex-ID: agm033457700 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
Dy5ZrN6 Tm5ZrN6
2024-08-25 00:05:30.540516
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033457700).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm033457700
data_agm033457700
_cell_length_a 7.58323
_cell_length_b 7.58323
_cell_length_c 6.80543
_cell_angle_alpha 77.10712
_cell_angle_beta 77.10712
_cell_angle_gamma 25.85539
_cell_volume 166.13523
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Dy1 Dy 0.16600 0.16600 0.16733 1.00000
Dy2 Dy 0.83400 0.83400 0.83267 1.00000
Tm1 Tm 0.50000 0.50000 0.00000 1.00000
Tm2 Tm 0.16563 0.16563 0.66641 1.00000
Tm3 Tm 0.83437 0.83437 0.33359 1.00000
Zr1 Zr 0.50000 0.50000 0.50000 1.00000
N1 N 0.66098 0.66098 0.42309 1.00000
N2 N 0.33523 0.33523 0.08687 1.00000
N3 N 0.33902 0.33902 0.57691 1.00000
N4 N 0.00139 0.00139 0.73868 1.00000
N5 N 0.99861 0.99861 0.26132 1.00000
N6 N 0.66477 0.66477 0.91313 1.00000
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